Task 38667249

Name test_517-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND6426_0
Workunit 31609905
Created 25 Oct 2026, 7:04:08 UTC
Sent 25 Oct 2026, 7:04:26 UTC
Report deadline 30 Oct 2026, 7:04:26 UTC
Received 25 Oct 2026, 8:29:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652808
Run time 30 min 19 sec
CPU time 26 min 36 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,847.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 705.46 MB
Peak swap size 5.39 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:59:38 (15616): wrapper (7.9.26016): starting
08:59:38 (15616): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
08:59:39 (15616): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:59:39 (15616): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
09:28:38 (15616): C:/Windows/system32/cmd.exe exited; CPU time 1596.203125
09:28:38 (15616): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 29231199 bytes.
Dumping objects ->
{3835189} normal block at 0x00000139D18BB3C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835178} normal block at 0x00000139D1895760, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835167} normal block at 0x00000139D18955A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835156} normal block at 0x00000139D18954C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835145} normal block at 0x00000139D18953E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835114} normal block at 0x00000139D3599DB0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835101} normal block at 0x00000139D18907A0, 8 bytes long.
 Data: <  &#207;&#209;9   > 00 00 CF D1 39 01 00 00 
{3833953} normal block at 0x00000139D1890BB0, 8 bytes long.
 Data: < &#162;&#139;&#209;9   > 10 A2 8B D1 39 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000139D1891580, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000139D1885D30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x00000139D1896540, 16 bytes long.
 Data: <8&#235; &#209;9           > 38 EB 88 D1 39 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000139D1896040, 16 bytes long.
 Data: < &#235; &#209;9           > 10 EB 88 D1 39 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000139D188F840, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x00000139D1896220, 16 bytes long.
 Data: <&#232;&#234; &#209;9           > E8 EA 88 D1 39 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000139D1895AA0, 16 bytes long.
 Data: <&#192;&#234; &#209;9           > C0 EA 88 D1 39 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000139D18964A0, 16 bytes long.
 Data: < &#234; &#209;9           > 98 EA 88 D1 39 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000139D1896720, 16 bytes long.
 Data: <p&#234; &#209;9           > 70 EA 88 D1 39 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000139D18956F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x00000139D1896590, 16 bytes long.
 Data: < &#185;&#135;&#209;9           > 18 B9 87 D1 39 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000139D188EE20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x00000139D1896270, 16 bytes long.
 Data: <&#240;&#184;&#135;&#209;9           > F0 B8 87 D1 39 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000139D18965E0, 16 bytes long.
 Data: <&#200;&#184;&#135;&#209;9           > C8 B8 87 D1 39 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000139D18966D0, 16 bytes long.
 Data: <&#160;&#184;&#135;&#209;9           > A0 B8 87 D1 39 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000139D1895960, 16 bytes long.
 Data: <x&#184;&#135;&#209;9           > 78 B8 87 D1 39 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000139D1896630, 16 bytes long.
 Data: <P&#184;&#135;&#209;9           > 50 B8 87 D1 39 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000139D18960E0, 16 bytes long.
 Data: <(&#184;&#135;&#209;9           > 28 B8 87 D1 39 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000139D188F900, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x00000139D1895E10, 16 bytes long.
 Data: < &#184;&#135;&#209;9           > 00 B8 87 D1 39 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000139D187B800, 320 bytes long.
 Data: < ^&#137;&#209;9    &#249; &#209;9   > 10 5E 89 D1 39 01 00 00 00 F9 88 D1 39 01 00 00 
{272} normal block at 0x00000139D1896450, 16 bytes long.
 Data: <P&#234; &#209;9           > 50 EA 88 D1 39 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000139D18964F0, 16 bytes long.
 Data: <(&#234; &#209;9           > 28 EA 88 D1 39 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000139D188F780, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x00000139D18958C0, 16 bytes long.
 Data: < &#234; &#209;9           > 00 EA 88 D1 39 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000139D188F5A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x00000139D18961D0, 16 bytes long.
 Data: <H&#233; &#209;9           > 48 E9 88 D1 39 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000139D18967C0, 16 bytes long.
 Data: < &#233; &#209;9           > 20 E9 88 D1 39 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000139D18962C0, 16 bytes long.
 Data: <&#248;&#232; &#209;9           > F8 E8 88 D1 39 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000139D1895A00, 16 bytes long.
 Data: <&#208;&#232; &#209;9           > D0 E8 88 D1 39 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000139D1895CD0, 16 bytes long.
 Data: <&#168;&#232; &#209;9           > A8 E8 88 D1 39 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000139D1896400, 16 bytes long.
 Data: < &#232; &#209;9           > 80 E8 88 D1 39 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000139D1895870, 16 bytes long.
 Data: < V&#137;&#209;9           > 80 56 89 D1 39 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000139D1895680, 40 bytes long.
 Data: <pX&#137;&#209;9   &#176; Y&#211;9   > 70 58 89 D1 39 01 00 00 B0 9D 59 D3 39 01 00 00 
{258} normal block at 0x00000139D1896680, 16 bytes long.
 Data: <`&#232; &#209;9           > 60 E8 88 D1 39 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000139D1895F50, 16 bytes long.
 Data: <8&#232; &#209;9           > 38 E8 88 D1 39 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000139D188FB40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x00000139D1895D70, 16 bytes long.
 Data: < &#232; &#209;9           > 10 E8 88 D1 39 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000139D188E810, 992 bytes long.
 Data: <p]&#137;&#209;9   @&#251; &#209;9   > 70 5D 89 D1 39 01 00 00 40 FB 88 D1 39 01 00 00 
{90} normal block at 0x00000139D188F4E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x00000139D18908E0, 16 bytes long.
 Data: <&#208;&#202;&#135;&#209;9           > D0 CA 87 D1 39 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x00000139D187CAD0, 40 bytes long.
 Data: <&#224; &#137;&#209;9   &#224;&#244; &#209;9   > E0 08 89 D1 39 01 00 00 E0 F4 88 D1 39 01 00 00 
{67} normal block at 0x00000139D18904D0, 16 bytes long.
 Data: < &#234;&#186;&#146;&#246;           > 80 EA BA 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000139D1890020, 16 bytes long.
 Data: <@&#233;&#186;&#146;&#246;           > 40 E9 BA 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000139D1890610, 16 bytes long.
 Data: <&#248;W&#183;&#146;&#246;           > F8 57 B7 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000139D188FCB0, 16 bytes long.
 Data: <&#216;W&#183;&#146;&#246;           > D8 57 B7 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000139D18902F0, 16 bytes long.
 Data: <P &#183;&#146;&#246;           > 50 04 B7 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000139D1890660, 16 bytes long.
 Data: <0 &#183;&#146;&#246;           > 30 04 B7 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000139D188FDF0, 16 bytes long.
 Data: <&#224; &#183;&#146;&#246;           > E0 02 B7 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000139D1890C00, 16 bytes long.
 Data: <  &#183;&#146;&#246;           > 10 04 B7 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000139D188FE40, 16 bytes long.
 Data: <p &#183;&#146;&#246;           > 70 04 B7 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000139D1890200, 16 bytes long.
 Data: < &#192;&#181;&#146;&#246;           > 18 C0 B5 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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